Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PDA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 38


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 0 -0.869 0.148 1.991
2 N1 N N1 N Y N 0 3.608 0.63 -0.016
3 C2 C C2 N Y N 0 3.541 0.325 1.264
4 C2A C C2A N N N 0 4.743 0.542 2.146
5 C3 C C3 N Y N 0 2.376 -0.194 1.807
6 O3A O O3A N N N 0 2.311 -0.507 3.128
7 C4 C C4 N Y N 0 1.273 -0.389 0.981
8 C4A C C4A N N N 0 -0.012 -0.951 1.53
9 C5 C C5 N Y N 0 1.389 -0.061 -0.359
10 C5A C C5A N N N 0 0.223 -0.254 -1.294
11 OP4 O OP4 N N N 0 0.592 0.168 -2.608
12 P P P N N N 0 -0.692 -0.064 -3.55
13 OP1 O OP1 N N N 0 -1.828 0.734 -3.041
14 OP2 O OP2 N N N 0 -0.345 0.392 -5.054
15 OP3 O OP3 N N N 0 -1.087 -1.625 -3.541
16 C6 C C6 N Y N 0 2.582 0.456 -0.826
17 CA C CA S N N 0 -2.099 -0.463 2.511
18 CB C CB N N N 0 -1.93 -0.76 4.003
19 C C C N N N 0 -3.254 0.484 2.316
20 O O O N N N 0 -4.486 0.133 2.719
21 OXT O OXT N N N 0 -3.072 1.56 1.797
22 HN H HN N N N 0 -1.132 0.675 1.171
23 H2A1 H 1H2A N N N 0 5.359 -0.356 2.149
24 H2A2 H 2H2A N N N 0 5.327 1.381 1.765
25 H2A3 H 3H2A N N N 0 4.414 0.76 3.162
26 HOA H HOA N N N 0 2.592 -1.429 3.211
27 H4A1 H 1H4A N N N 0 0.208 -1.614 2.367
28 H4A2 H 2H4A N N N 0 -0.527 -1.51 0.749
29 H5A1 H 1H5A N N N 0 -0.053 -1.308 -1.316
30 H5A2 H 2H5A N N N 0 -0.623 0.337 -0.946
31 HO2 H HO2 N N N 0 -1.139 0.236 -5.584
32 HO3 H HO3 N N N 0 -0.322 -2.109 -3.88
33 H6 H H6 N N N 0 2.677 0.719 -1.87
34 HA H HA N N N 0 -2.297 -1.392 1.976
35 HB1 H 1HB N N N 0 -1.732 0.167 4.538
36 HB2 H 2HB N N N 0 -2.842 -1.215 4.389
37 HB3 H 3HB N N N 0 -1.094 -1.446 4.144
38 HO H HO N N N 0 -5.227 0.742 2.594